[Pw_forum] PWgui NEB.x input generation error

[Afshin Arjangmehr]

Dear Tone,

Thanks for your response. I changed "--label" to "-label" and now NEB
module works fine.


Regards
Afshin

On Mon, Oct 10, 2016 at 12:48 AM, Tone Kokalj <tone.kokalj at ijs.si> wrote:

> On Sun, 2016-10-09 at 13:11 +0330, Afshin Arjangmehr wrote:
> > Dear QE users and developers,
> >
> > Recently, I tried to use PWgui6.0 to generate input files for neb
> > calculations, but everytime PWgui displays the following error:
> >
> > RROR: an error occured while parsing the separator option: -label
> >
> >
> > and the following is its details:
> >
> > <<ERROR: an error occured while parsing the separator option: -label
>
> Thanks for reporting this: there is indeed a typo on line 137 in file:
> qe-6.0/PWgui-6.0/modules/neb/neb.tcl, which reads:
>
> separator --label "--- Fictitious Charge Particle (FCP) options ---"
>
> Edit the file and change "--label" to "-label" and it will work.
>
>
> (Note: this typo is not really a typo for new versions of tcllib, which
> support the double dashed "--" prefixed options; as it happens I have
> the new version I haven't spotted the problem).
>
> Best regards, Tone
> --
> J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia
> (tel: +386-1-477-3523 // fax: +386-1-251-9385)
>
>
>
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-- 
With Best Regards
Afshin Arjhangemehr
PhD student in Radiation Application
Shahid Beheshti University G.C, Tehran, IRAN
(+98) 912 439 20 64
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